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Assay Detail

CHEMBL804590

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
In vitro binding affinity towards human serotonin transporter
24
Total Activities
24
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Sodium-dependent serotonin transporter (CHEMBL228)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis of 3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazoles, displaying combined 5-HT uptake inhibiting and alpha2-adrenoceptor antagonistic activities. Part 2: Further exploration on the cinnamyl moiety.
Pastor J, Alcázar J, Alvarez RM, Andrés JI, Cid JM, De Lucas AI, Díaz A, Fernández J, Font LM, Iturrino L, Lafuente C, Martínez S, Bakker MH, Biesmans I, Heylen LI, Megens AA.
Bioorg Med Chem Lett (2004) 14 : 2917 -2922
PubMed 15125959 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 24 8.23 9.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL263424 1 9.22
CHEMBL318235 1 8.92
CHEMBL98541 1 8.89
CHEMBL101411 1 8.89
CHEMBL99868 1 8.80
CHEMBL101596 1 8.72
CHEMBL91157 1 8.64
CHEMBL95218 1 8.60
CHEMBL98646 1 8.57
CHEMBL319119 1 8.49
CHEMBL419316 1 8.35
CHEMBL328195 1 8.32
CHEMBL328631 1 8.27
CHEMBL419894 1 8.25
CHEMBL419336 1 8.15
CHEMBL329065 1 8.12
CHEMBL328114 1 8.08
CHEMBL319573 1 7.89
CHEMBL99916 1 7.68
CHEMBL319530 1 7.66
CHEMBL420830 1 7.46
CHEMBL101361 1 7.29
CHEMBL98889 1 7.20
CHEMBL100879 1 7.13

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL263424 Ki = 0.6 nM 9.22
CHEMBL318235 Ki = 1.2 nM 8.92
CHEMBL98541 Ki = 1.3 nM 8.89
CHEMBL101411 Ki = 1.3 nM 8.89
CHEMBL99868 Ki = 1.6 nM 8.80
CHEMBL101596 Ki = 1.9 nM 8.72
CHEMBL91157 Ki = 2.3 nM 8.64
CHEMBL95218 Ki = 2.5 nM 8.60
CHEMBL98646 Ki = 2.7 nM 8.57
CHEMBL319119 Ki = 3.2 nM 8.49
CHEMBL419316 Ki = 4.5 nM 8.35
CHEMBL328195 Ki = 4.8 nM 8.32
CHEMBL328631 Ki = 5.4 nM 8.27
CHEMBL419894 Ki = 5.6 nM 8.25
CHEMBL419336 Ki = 7.1 nM 8.15
CHEMBL329065 Ki = 7.6 nM 8.12
CHEMBL328114 Ki = 8.3 nM 8.08
CHEMBL319573 Ki = 13.0 nM 7.89
CHEMBL99916 Ki = 21.0 nM 7.68
CHEMBL319530 Ki = 22.0 nM 7.66
CHEMBL420830 Ki = 35.0 nM 7.46
CHEMBL101361 Ki = 51.0 nM 7.29
CHEMBL98889 Ki = 63.0 nM 7.20
CHEMBL100879 Ki = 74.0 nM 7.13